CID 162157

3-phenoxybenzyltriethylammonium

Structural Information

Molecular Formula
C19H26NO
SMILES
CC[N+](CC)(CC)CC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C19H26NO/c1-4-20(5-2,6-3)16-17-11-10-14-19(15-17)21-18-12-8-7-9-13-18/h7-15H,4-6,16H2,1-3H3/q+1
InChIKey
PVPXWJHAZADTMR-UHFFFAOYSA-N
Compound name
triethyl-[(3-phenoxyphenyl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

284.20145 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20873 170.4
[M+Na]+ 307.19067 175.5
[M-H]- 283.19417 177.9
[M+NH4]+ 302.23527 186.4
[M+K]+ 323.16461 166.5
[M+H-H2O]+ 267.19871 164.9
[M+HCOO]- 329.19965 193.7
[M+CH3COO]- 343.21530 201.6
[M+Na-2H]- 305.17612 178.6
[M]+ 284.20090 172.0
[M]- 284.20200 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe